SCHEMBL7110367

SCHEMBL7110367

COc1ccc(CCNC(=O)C(C)=Cc2ccccc2)cc1S(N)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 2/20 0.50
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7110365 1.00 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7110665 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7110662 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7112525 0.84 ABCC9 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7112530 0.84 ABCC9 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7111646 0.82 MAPT (0.74) ALDH1A1SMN1; SMN2MAPTLMNAPOLB
SCHEMBL7111643 0.82 MAPT (0.74) ALDH1A1SMN1; SMN2MAPTLMNAPOLB
SCHEMBL7110369 0.80 MAPT (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6191441 0.78 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL7110672 0.78 MAPT (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1183236-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 WO disclosed